SCHEMBL31680259

SCHEMBL31680259

N=C(N)NCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 11/20 0.60
▸ IL23R Q5VWK5 5/20 0.59
▸ OPRM1 P35372 1/20 0.56
▸ OPRD1 P41143 1/20 0.56
▸ GHSR Q92847 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30254794 0.95 IL23R (0.61) NPBWR1IL23R
SCHEMBL29440486 0.93 NPBWR1 (0.58) NPBWR1GHSR
SCHEMBL30636161 0.93 NPBWR1 (0.58) NPBWR1GHSR
SCHEMBL29641119 0.92 NPBWR1 (0.62) NPBWR1GHSR
SCHEMBL29461961 0.92 NPBWR1 (0.62) NPBWR1GHSR
SCHEMBL29788453 0.91 NPBWR1 (0.65) NPBWR1IL23R
SCHEMBL29641064 0.90 NPBWR1 (0.66) NPBWR1IL23RGHSR
SCHEMBL30451792 0.90 NPBWR1 (0.52) NPBWR1OPRM1OPRD1GHSR
SCHEMBL30464843 0.90 MC4R (0.55) OPRM1OPRD1
SCHEMBL30919247 0.89 OPRD1 (0.57) NPBWR1IL23ROPRM1OPRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250276116-A1 METHODS OF MITIGATING MYOCARDIAL DAMAGE DUE TO EXTRACORPOREAL MEMBRANE OXYGENATION TUFTS MEDICAL CENTER, INC. 2025-09-04 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250276116-A1 METHODS OF MITIGATING MYOCARDIAL DAMAGE DUE TO EXTRACORPOREAL MEMBRANE OXYGENATION TNNI3, TNNT2, MB NPBWR1 4341/4885IL23R 4785/4885OPRM1 2428/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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